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(3R,3aR,7aS)-3-Butylhexahydro-1(3H)-isobenzofuranone

Properties

Image

Occurences in reactions

MNX_ID

MNXM115131

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₁₂H₂₀O₂

charge

mass

196.14633

reference

InChIKey

TZRMFZSOOVBPPN-UHFFFAOYSA-N

InChI

InChI=1S/C12H20O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h9-11H,2-8H2,1H3

SMILES

CCCCC1OC(=O)C2CCCCC12

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:172047 chebi:172047	(3R,3aR,7aS)-3-Butylhexahydro-1(3H)-isobenzofuranone 3-butyl-3a,4,5,6,7,7a-hexahydro-3H-2-benzouran-1-one
hmdb:HMDB0034903	(3R,3aR,7aS)-3-Butylhexahydro-1(3H)-isobenzofuranone 3-butyl-hexahydro-3H-2-benzofuran-1-one 3-butyl-octahydro-2-benzofuran-1-one
hmdb:HMDB34903	secondary/obsolete/fantasy identifier